Results 91 to 100 of about 1,114,115 (315)
Phonon-mediated unconventional superconductivity in rhombohedral stacked multilayer graphene
npj Computational MaterialsUnderstanding the origin of superconductivity in correlated two-dimensional materials is a key step in leveraging material engineering techniques for next-generation nanoscale devices.
Emil Viñas Boström +5 more
doaj +1 more source
Relativistic electronic structure theory.
, 2004 The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks.
Pyykkö, Pekka, Schwerdtfeger, Peter.
core
, 2018 | openaire: EC/H2020/676580/EU//NoMaDWithin density-functional theory, perturbation theory (PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities ...
Rossi, Mariana +11 more
core +1 more source
Combining low-cost electronic structure theory and low-cost parallel computing architecture
, 2023 The computational efficiency of low-cost electronic structure methods can be further improved by leveraging heterogenous computing architectures. The software package TeraChem has been developed since 2008 to make use of graphical processing units (GPUs)
Pit, Steinbach, Christoph, Bannwarth
core +1 more source
Design and analysis strategies for robust microbiome ageing research
FEBS Letters, EarlyView.The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik +5 more
wiley +1 more source
, 2018 We have developed a multi-scale model for organic-inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures.
Li, Jingrui +2 more
core +1 more source
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Structural Proof Theory as Rewriting [PDF]
, 2006 The multiary version of the λ-calculus with generalized applications integrates smoothly both a fragment of sequent calculus and the system of natural deduction of von Plato. It is equipped with reduction rules (corresponding to cut-elimination/normalisation rules) and permutation rules, typical of sequent calculus and of natural deduction with ...
José Espírito Santo +2 more
openaire +2 more sources
The role of miR‐335‐5p in the redifferentiation of BRAF p.V600E thyroid cancers
Molecular Oncology, EarlyView.The BRAF p.V600E mutation promotes thyroid cancer dedifferentiation and radioiodine resistance. Using a network approach, we identified miR‐335‐5p as a key regulator of BRAF‐mutated thyroid tumors. Restoring miR‐335‐5p increased thyroid‐specific gene expression and iodine uptake in cells and organoids.
Valeria Pecce +11 more
wiley +1 more source
Tumour–host interactions in Drosophila: mechanisms in the tumour micro‐ and macroenvironment
Molecular Oncology, EarlyView.This review examines how tumour–host crosstalk takes place at multiple levels of biological organisation, from local cell competition and immune crosstalk to organism‐wide metabolic and physiological collapse. Here, we integrate findings from Drosophila melanogaster studies that reveal conserved mechanisms through which tumours hijack host systems to ...
José Teles‐Reis, Tor Erik Rusten
wiley +1 more source